3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine

C12H11BrN2S — CID 164907639

IUPAC3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3nc4ccc(Br)cc4s3)(C1)C2
InChIInChI=1S/C12H11BrN2S/c13-7-1-2-8-9(3-7)16-10(15-8)11-4-12(14,5-11)6-11/h1-3H,4-6,14H2
InChIKeyJIJQCQUDOUGZDF-UHFFFAOYSA-N
MW295.20 g/mol
LogP3.19
Rot. Bonds1

About 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine

3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine (PubChem CID 164907639) has the molecular formula C12H11BrN2S and a molecular weight of 295.20 g/mol. Its IUPAC name is 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
PubChem CID164907639
Molecular FormulaC12H11BrN2S
Molecular Weight295.20 g/mol
Exact Mass293.98
IUPAC Name3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3nc4ccc(Br)cc4s3)(C1)C2
InChIInChI=1S/C12H11BrN2S/c13-7-1-2-8-9(3-7)16-10(15-8)11-4-12(14,5-11)6-11/h1-3H,4-6,14H2
InChIKeyJIJQCQUDOUGZDF-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 79534201
3-(1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 134128343
[1-(6-bromo-1,3-benzothiazol-2-yl)cyclopropyl]methanamine
CID 115450810
4-(6-bromo-1,3-benzothiazol-2-yl)-4-methyloxolan-3-amine
CID 79534209
6-bromo-2-(2-propylpyrrolidin-2-yl)-1,3-benzothiazole
CID 106977824
6-bromo-2-piperazin-1-yl-1,3-benzothiazole
CID 42281675
1-(6-bromo-1,3-benzothiazol-2-yl)azetidin-3-ol
CID 66906067
2-(1-aminocyclopropyl)-1,3-benzothiazol-6-ol
CID 84779151
3-(6-bromo-1,3-benzothiazol-2-yl)-1-ethyl-5-methylcyclohex-4-ene-1,3-dicarboxylic acid
CID 150174230
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
6-bromo-2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazole
CID 91678559
4-(6-bromo-1,3-benzothiazol-2-yl)-3-fluoroaniline
CID 107795255

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine (CID 164907639) is 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine is NC12CC(c3nc4ccc(Br)cc4s3)(C1)C2.
What is the InChIKey of 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
The InChIKey is JIJQCQUDOUGZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c13-7-1-2-8-9(3-7)16-10(15-8)11-4-12(14,5-11)6-11/h1-3H,4-6,14H2.
What are the key properties of 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine?
3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine has a molecular weight of 295.20 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 164907639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).